College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, P.R. China.
Proteins. 2018 Jul;86(7):751-758. doi: 10.1002/prot.25509. Epub 2018 May 6.
Circular dichroism (CD) spectroscopy is a widely used technique for the evaluation of protein secondary structures that has a significant impact for the understanding of molecular biology. However, the quantitative analysis of protein secondary structures based on CD spectra is still a hard work due to the serious overlap of the spectra corresponding to different structural motifs. Here, Tchebichef image moment (TM) approach is introduced for the first time, which can effectively extract the chemical features in CD spectra for the quantitative analysis of protein secondary structures. The proposed approach was applied to analyze reference set and the obtained results were evaluated by the strict statistical parameters such as correlation coefficient, cross-validation correlation coefficient and root mean squared error. Compared with several specialized prediction methods, TM approach provided satisfactory results, especially for turns and unordered structures. Our study indicates that TM approach can be regarded as a feasible tool for the analysis of the secondary structures of proteins based on CD spectra. An available TMs package is provided and can be used directly for secondary structures prediction.
圆二色性（CD）光谱学是一种广泛用于评估蛋白质二级结构的技术，对理解分子生物学有重要影响。然而，由于对应于不同结构基序的光谱严重重叠，基于 CD 光谱的蛋白质二级结构的定量分析仍然是一项艰巨的工作。本文首次引入了切贝谢夫像矩（TM）方法，该方法可有效提取 CD 光谱中的化学特征，用于蛋白质二级结构的定量分析。该方法用于分析参考集，通过相关系数、交叉验证相关系数和均方根误差等严格的统计参数来评估所得结果。与几种专门的预测方法相比，TM 方法提供了令人满意的结果，特别是对于转角和无规结构。我们的研究表明，TM 方法可以作为一种基于 CD 光谱分析蛋白质二级结构的可行工具。本文提供了一个可用的 TM 包，可直接用于二级结构预测。
